Geometry & MOs

Info

ID:

317371

PubChem CID:

126636895

Reduced:

O4C13H15 (2)

Stoich.:

A4B13C15 (2)

Weight, g/mol:

561.184892

ΔHf, kcal/mol:

-278.0

Dipole, Da:

11.04

IP(EA), eV:

 -9.1(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R)-2-[5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C/C=C\C(=O)[C@H]([C@H](C/C=C/[C@H]2CC(=CC(=C2C(=O)O1)O)OCC3=CC=C(C=C3)OC)O)O

DOS

IR

Vibrations